Compound Detail
CHEMBL1825049
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Basic Information
| ChEMBL ID | CHEMBL1825049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEQNFXZGSBIFNT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.57
ALogP
4
HBA
0
HBD
39.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate ... | 21703734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28712709 | 10.1016/j.bmcl.2017.07.008 | Unchecked | 2 |
| 21703734 | 10.1016/j.ejmech.2011.05.074 | Aromatase | 1 |
| 28712709 | 10.1016/j.bmcl.2017.07.008 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine